4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide

C24H30N2O3 — CID 46580126

IUPAC4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)19-11-7-18(8-12-19)23(28)25-15-21(27)26-22(16-5-6-16)17-9-13-20(29-4)14-10-17/h7-14,16,22H,5-6,15H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyTWEGAFFJWPNQFM-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.99
Rot. Bonds7

About 4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide

4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 46580126) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
PubChem CID46580126
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C2CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)19-11-7-18(8-12-19)23(28)25-15-21(27)26-22(16-5-6-16)17-9-13-20(29-4)14-10-17/h7-14,16,22H,5-6,15H2,1-4H3,(H,25,28)(H,26,27)
InChIKeyTWEGAFFJWPNQFM-UHFFFAOYSA-N
XLogP3.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide
CID 78829079
N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 55478443
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545772
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 51927573
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990447
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 52626231
4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6297900
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide
CID 55540383

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide (CID 46580126) is 4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide is COc1ccc(C(NC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C2CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is TWEGAFFJWPNQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2,3)19-11-7-18(8-12-19)23(28)25-15-21(27)26-22(16-5-6-16)17-9-13-20(29-4)14-10-17/h7-14,16,22H,5-6,15H2,1-4H3,(H,25,28)(H,26,27).
What are the key properties of 4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide?
4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46580126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).